REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2a08_1_B DATA FIRST_RESID 6 DATA SEQUENCE ATAVALYNFA GEQPGDLAFK KGDVITILKK SDSQNDWWTG RTNGKEGIFP DATA SEQUENCE ANYVRVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.595 177.584 0.018 0.000 1.274 6 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 6 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 7 T N -1.273 113.298 114.554 0.028 0.000 2.916 7 T HA 1.012 5.363 4.350 0.001 0.000 0.292 7 T C -0.246 174.484 174.700 0.049 0.000 1.064 7 T CA -0.124 61.991 62.100 0.026 0.000 1.011 7 T CB 1.746 70.614 68.868 0.001 0.000 1.152 7 T HN 2.462 nan 8.240 nan 0.000 0.510 8 A N 0.526 123.356 122.820 0.017 0.000 2.572 8 A HA 0.827 5.148 4.320 0.001 0.000 0.295 8 A C -1.140 176.393 177.584 -0.086 0.000 1.072 8 A CA -0.830 51.212 52.037 0.009 0.000 0.691 8 A CB 1.908 20.965 19.000 0.095 0.000 1.291 8 A HN 1.386 nan 8.150 nan 0.000 0.404 9 V N 1.267 121.132 119.914 -0.082 0.000 2.459 9 V HA 0.724 4.845 4.120 0.001 0.000 0.295 9 V C 0.510 176.515 176.094 -0.149 0.000 1.029 9 V CA -0.029 62.200 62.300 -0.119 0.000 0.874 9 V CB 1.292 33.072 31.823 -0.073 0.000 0.985 9 V HN 1.860 nan 8.190 nan 0.000 0.438 10 A N 6.305 128.994 122.820 -0.219 0.000 2.492 10 A HA 0.447 4.768 4.320 0.001 0.000 0.254 10 A C 0.658 178.222 177.584 -0.034 0.000 1.091 10 A CA -0.076 51.864 52.037 -0.162 0.000 0.768 10 A CB 0.149 19.042 19.000 -0.179 0.000 1.028 10 A HN 1.005 nan 8.150 nan 0.000 0.498 11 L N 1.471 122.690 121.223 -0.006 0.000 2.585 11 L HA 0.202 4.542 4.340 0.001 0.000 0.226 11 L C -0.626 175.952 176.870 -0.485 0.000 1.113 11 L CA 0.397 55.088 54.840 -0.248 0.000 0.876 11 L CB -0.362 41.481 42.059 -0.360 0.000 1.072 11 L HN 0.759 nan 8.230 nan 0.000 0.468 12 Y N -1.661 118.713 120.300 0.123 0.000 2.571 12 Y HA 0.317 4.867 4.550 -0.001 0.000 0.341 12 Y C -0.018 176.086 175.900 0.340 0.000 1.076 12 Y CA -1.498 56.677 58.100 0.125 0.000 1.029 12 Y CB 0.859 39.261 38.460 -0.097 0.000 1.308 12 Y HN -0.154 nan 8.280 nan 0.000 0.461 13 N N 1.483 120.422 118.700 0.399 0.000 2.479 13 N HA 0.173 4.914 4.740 0.001 0.000 0.257 13 N C -1.440 174.273 175.510 0.339 0.000 1.232 13 N CA 0.325 53.561 53.050 0.310 0.000 0.920 13 N CB 0.674 39.265 38.487 0.172 0.000 1.105 13 N HN 0.534 nan 8.380 nan 0.000 0.444 14 F N 0.537 120.340 119.950 -0.245 0.000 2.579 14 F HA 0.476 5.002 4.527 -0.001 0.000 0.325 14 F C 0.494 176.048 175.800 -0.410 0.000 1.162 14 F CA -1.047 56.672 58.000 -0.469 0.000 0.946 14 F CB 0.894 39.182 39.000 -1.187 0.000 1.211 14 F HN 0.530 nan 8.300 nan 0.000 0.447 15 A N 3.971 126.370 122.820 -0.702 0.000 2.066 15 A HA 0.294 4.615 4.320 0.001 0.000 0.218 15 A C 1.663 178.808 177.584 -0.732 0.000 1.157 15 A CA 0.764 52.471 52.037 -0.550 0.000 0.670 15 A CB -1.369 17.439 19.000 -0.320 0.000 0.804 15 A HN 1.969 nan 8.150 nan 0.000 0.453 16 G N -0.038 107.883 108.800 -1.465 0.000 2.372 16 G HA2 -0.231 3.730 3.960 0.001 0.000 0.297 16 G HA3 -0.231 3.730 3.960 0.001 0.000 0.297 16 G C 0.303 174.993 174.900 -0.350 0.000 1.005 16 G CA 0.566 45.106 45.100 -0.933 0.000 1.173 16 G HN 0.530 nan 8.290 nan 0.000 0.511 17 E N -0.590 119.436 120.200 -0.289 0.000 2.452 17 E HA 0.018 4.369 4.350 0.001 0.000 0.197 17 E C 1.369 177.931 176.600 -0.064 0.000 1.022 17 E CA 0.301 56.616 56.400 -0.143 0.000 0.890 17 E CB 0.335 29.958 29.700 -0.129 0.000 0.918 17 E HN 0.823 nan 8.360 nan 0.000 0.496 18 Q N 1.697 121.481 119.800 -0.028 0.000 2.306 18 Q HA 0.204 4.544 4.340 0.001 0.000 0.241 18 Q C -2.318 173.690 176.000 0.015 0.000 0.948 18 Q CA -2.008 53.795 55.803 0.000 0.000 0.886 18 Q CB 0.390 29.135 28.738 0.012 0.000 1.227 18 Q HN -0.087 nan 8.270 nan 0.000 0.457 19 P HA -0.032 nan 4.420 nan 0.000 0.262 19 P C 0.432 177.755 177.300 0.039 0.000 1.199 19 P CA 0.887 63.996 63.100 0.016 0.000 0.763 19 P CB 0.281 31.984 31.700 0.006 0.000 0.790 20 G N 2.163 110.998 108.800 0.058 0.000 2.175 20 G HA2 -0.186 3.775 3.960 0.001 0.000 0.244 20 G HA3 -0.186 3.775 3.960 0.001 0.000 0.244 20 G C -0.084 174.907 174.900 0.152 0.000 0.982 20 G CA -0.360 44.794 45.100 0.090 0.000 0.641 20 G HN 0.484 nan 8.290 nan 0.000 0.527 21 D N 0.064 120.565 120.400 0.168 0.000 2.372 21 D HA 0.464 5.105 4.640 0.001 0.000 0.243 21 D C 0.507 176.948 176.300 0.236 0.000 1.121 21 D CA -0.282 53.890 54.000 0.287 0.000 0.898 21 D CB 1.456 42.419 40.800 0.271 0.000 1.202 21 D HN 0.265 nan 8.370 nan 0.000 0.428 22 L N 1.755 123.188 121.223 0.349 0.000 2.290 22 L HA 0.470 4.810 4.340 0.001 0.000 0.284 22 L C -0.356 176.645 176.870 0.218 0.000 1.078 22 L CA -0.382 54.630 54.840 0.286 0.000 0.815 22 L CB 0.622 42.904 42.059 0.370 0.000 1.162 22 L HN 0.382 nan 8.230 nan 0.000 0.435 23 A N 5.226 128.073 122.820 0.046 0.000 2.304 23 A HA 0.755 5.076 4.320 0.001 0.000 0.301 23 A C -0.846 176.764 177.584 0.044 0.000 1.132 23 A CA -0.297 51.663 52.037 -0.129 0.000 0.819 23 A CB 0.181 19.095 19.000 -0.144 0.000 1.094 23 A HN 0.771 nan 8.150 nan 0.000 0.492 24 F N -0.581 119.411 119.950 0.070 0.000 2.741 24 F HA 0.733 5.261 4.527 0.002 0.000 0.313 24 F C -0.862 174.985 175.800 0.078 0.000 1.153 24 F CA -1.384 56.646 58.000 0.051 0.000 0.931 24 F CB 1.113 40.121 39.000 0.012 0.000 1.335 24 F HN 0.311 nan 8.300 nan 0.000 0.460 25 K N 0.998 121.617 120.400 0.364 0.000 2.208 25 K HA 0.313 4.634 4.320 0.001 0.000 0.247 25 K C -0.956 175.812 176.600 0.280 0.000 0.953 25 K CA -1.036 55.402 56.287 0.252 0.000 0.837 25 K CB 2.201 34.780 32.500 0.131 0.000 1.131 25 K HN 0.827 nan 8.250 nan 0.000 0.431 26 K N 0.269 120.800 120.400 0.217 0.000 2.504 26 K HA -0.062 4.258 4.320 0.001 0.000 0.278 26 K C 0.750 177.385 176.600 0.057 0.000 1.025 26 K CA 1.637 58.000 56.287 0.126 0.000 1.093 26 K CB -0.247 32.290 32.500 0.062 0.000 0.873 26 K HN 0.805 nan 8.250 nan 0.000 0.483 27 G N 3.133 111.941 108.800 0.012 0.000 2.232 27 G HA2 -0.213 3.748 3.960 0.001 0.000 0.226 27 G HA3 -0.213 3.748 3.960 0.001 0.000 0.226 27 G C -0.388 174.495 174.900 -0.030 0.000 0.996 27 G CA 0.060 45.150 45.100 -0.017 0.000 0.626 27 G HN 0.717 nan 8.290 nan 0.000 0.509 28 D N 0.607 120.995 120.400 -0.021 0.000 2.443 28 D HA 0.419 5.059 4.640 0.001 0.000 0.239 28 D C 0.656 176.881 176.300 -0.126 0.000 1.136 28 D CA 0.203 54.173 54.000 -0.050 0.000 0.879 28 D CB 1.593 42.385 40.800 -0.013 0.000 1.195 28 D HN 0.233 nan 8.370 nan 0.000 0.443 29 V N 3.586 123.438 119.914 -0.103 0.000 2.383 29 V HA 0.294 4.415 4.120 0.001 0.000 0.275 29 V C 0.521 176.528 176.094 -0.144 0.000 1.036 29 V CA -0.595 61.637 62.300 -0.115 0.000 0.889 29 V CB 0.780 32.564 31.823 -0.065 0.000 0.985 29 V HN 0.320 nan 8.190 nan 0.000 0.459 30 I N 3.933 124.377 120.570 -0.210 0.000 2.354 30 I HA 0.308 4.478 4.170 0.001 0.000 0.292 30 I C 0.504 176.555 176.117 -0.111 0.000 0.989 30 I CA -0.033 61.121 61.300 -0.244 0.000 1.188 30 I CB 1.771 39.445 38.000 -0.545 0.000 1.342 30 I HN 0.524 nan 8.210 nan 0.000 0.457 31 T N 7.176 121.697 114.554 -0.055 0.000 2.794 31 T HA 0.432 4.783 4.350 0.001 0.000 0.296 31 T C 0.196 174.926 174.700 0.051 0.000 0.949 31 T CA -0.176 61.924 62.100 0.000 0.000 1.101 31 T CB 0.308 69.178 68.868 0.004 0.000 0.905 31 T HN 0.272 nan 8.240 nan 0.000 0.516 32 I N 4.647 125.266 120.570 0.081 0.000 2.291 32 I HA 0.150 4.321 4.170 0.001 0.000 0.292 32 I C 1.248 177.409 176.117 0.073 0.000 1.064 32 I CA -0.250 61.136 61.300 0.144 0.000 1.269 32 I CB 0.679 38.761 38.000 0.138 0.000 1.418 32 I HN 0.612 nan 8.210 nan 0.000 0.485 33 L N 5.188 126.473 121.223 0.104 0.000 2.179 33 L HA 0.116 4.457 4.340 0.001 0.000 0.208 33 L C 1.003 177.885 176.870 0.020 0.000 1.096 33 L CA 1.000 55.875 54.840 0.059 0.000 0.779 33 L CB -0.247 41.860 42.059 0.080 0.000 0.922 33 L HN 0.521 nan 8.230 nan 0.000 0.443 34 K N 0.711 121.122 120.400 0.019 0.000 2.543 34 K HA 0.359 4.679 4.320 0.001 0.000 0.255 34 K C -1.551 174.941 176.600 -0.179 0.000 0.934 34 K CA -0.608 55.645 56.287 -0.056 0.000 0.810 34 K CB 2.158 34.657 32.500 -0.002 0.000 1.315 34 K HN -0.046 nan 8.250 nan 0.000 0.433 35 K N 0.157 120.325 120.400 -0.386 0.000 2.536 35 K HA 0.472 4.793 4.320 0.001 0.000 0.269 35 K C -0.752 175.501 176.600 -0.578 0.000 0.965 35 K CA -0.874 54.866 56.287 -0.912 0.000 0.860 35 K CB 1.674 33.181 32.500 -1.655 0.000 1.423 35 K HN 0.532 nan 8.250 nan 0.000 0.438 36 S N -0.636 114.762 115.700 -0.503 0.000 2.738 36 S HA 0.166 4.637 4.470 0.001 0.000 0.284 36 S C 0.363 174.922 174.600 -0.068 0.000 1.146 36 S CA -0.074 58.069 58.200 -0.096 0.000 0.997 36 S CB 0.895 64.190 63.200 0.158 0.000 1.081 36 S HN 0.798 nan 8.310 nan 0.000 0.553 37 D N -0.480 119.942 120.400 0.036 0.000 2.328 37 D HA 0.133 4.774 4.640 0.001 0.000 0.226 37 D C 0.181 176.581 176.300 0.168 0.000 1.066 37 D CA -0.024 54.014 54.000 0.063 0.000 0.861 37 D CB -0.189 40.629 40.800 0.030 0.000 0.912 37 D HN 0.278 nan 8.370 nan 0.000 0.521 38 S N -0.303 115.564 115.700 0.279 0.000 2.561 38 S HA 0.195 4.666 4.470 0.001 0.000 0.303 38 S C 0.263 175.044 174.600 0.303 0.000 1.110 38 S CA -0.650 57.699 58.200 0.247 0.000 1.034 38 S CB 1.673 64.963 63.200 0.151 0.000 1.010 38 S HN 0.062 nan 8.310 nan 0.000 0.482 39 Q N 2.649 122.529 119.800 0.133 0.000 2.444 39 Q HA 0.108 4.449 4.340 0.001 0.000 0.206 39 Q C 0.434 176.285 176.000 -0.247 0.000 0.948 39 Q CA 0.241 55.938 55.803 -0.178 0.000 0.946 39 Q CB 0.034 28.709 28.738 -0.104 0.000 1.027 39 Q HN 0.630 nan 8.270 nan 0.000 0.513 40 N N 0.402 119.040 118.700 -0.103 0.000 2.268 40 N HA 0.005 4.746 4.740 0.001 0.000 0.204 40 N C -0.946 174.533 175.510 -0.051 0.000 1.124 40 N CA 0.108 53.104 53.050 -0.089 0.000 0.838 40 N CB 0.503 38.979 38.487 -0.019 0.000 0.994 40 N HN 0.088 nan 8.380 nan 0.000 0.489 41 D N -1.200 119.144 120.400 -0.093 0.000 2.549 41 D HA 0.276 4.916 4.640 0.001 0.000 0.270 41 D C -0.558 175.647 176.300 -0.159 0.000 1.181 41 D CA -0.197 53.828 54.000 0.042 0.000 1.070 41 D CB 0.438 41.359 40.800 0.201 0.000 1.154 41 D HN 0.008 nan 8.370 nan 0.000 0.602 42 W N 0.359 121.523 121.300 -0.227 0.000 2.478 42 W HA 0.344 5.002 4.660 -0.003 0.000 0.318 42 W C -0.425 176.024 176.519 -0.116 0.000 1.062 42 W CA -0.643 56.508 57.345 -0.324 0.000 1.210 42 W CB 0.694 30.040 29.460 -0.190 0.000 1.325 42 W HN 0.188 nan 8.180 nan 0.000 0.496 43 W N 0.816 121.806 121.300 -0.518 0.000 2.703 43 W HA 0.592 5.262 4.660 0.016 0.000 0.359 43 W C -0.322 176.031 176.519 -0.278 0.000 1.168 43 W CA -1.676 55.408 57.345 -0.435 0.000 1.177 43 W CB 0.429 29.545 29.460 -0.573 0.000 1.434 43 W HN -0.125 nan 8.180 nan 0.000 0.618 44 T N 1.102 115.807 114.554 0.251 0.000 2.794 44 T HA 0.705 5.055 4.350 0.001 0.000 0.280 44 T C 0.011 175.000 174.700 0.481 0.000 0.987 44 T CA -0.312 61.989 62.100 0.336 0.000 0.993 44 T CB 1.354 70.341 68.868 0.199 0.000 0.939 44 T HN 0.559 nan 8.240 nan 0.000 0.449 45 G N 1.711 110.833 108.800 0.536 0.000 2.725 45 G HA2 0.721 4.681 3.960 0.001 0.000 0.288 45 G HA3 0.721 4.681 3.960 0.001 0.000 0.288 45 G C -1.617 173.377 174.900 0.158 0.000 1.399 45 G CA -0.749 44.552 45.100 0.336 0.000 0.859 45 G HN 0.593 nan 8.290 nan 0.000 0.479 46 R N -0.282 120.254 120.500 0.059 0.000 2.575 46 R HA 0.698 5.038 4.340 0.001 0.000 0.293 46 R C -1.713 174.581 176.300 -0.010 0.000 0.983 46 R CA -0.420 55.703 56.100 0.039 0.000 0.887 46 R CB 2.204 32.529 30.300 0.042 0.000 1.184 46 R HN 0.642 nan 8.270 nan 0.000 0.445 47 T N 2.766 117.324 114.554 0.007 0.000 3.097 47 T HA 0.240 4.590 4.350 0.001 0.000 0.332 47 T C -0.948 173.766 174.700 0.024 0.000 1.269 47 T CA -0.450 61.647 62.100 -0.004 0.000 1.076 47 T CB 0.529 69.373 68.868 -0.040 0.000 1.209 47 T HN 0.810 nan 8.240 nan 0.000 0.474 48 N N 2.638 121.348 118.700 0.016 0.000 2.725 48 N HA -0.231 4.509 4.740 0.001 0.000 0.251 48 N C 0.896 176.420 175.510 0.024 0.000 1.031 48 N CA 1.530 54.593 53.050 0.021 0.000 0.720 48 N CB -1.289 37.215 38.487 0.028 0.000 0.930 48 N HN 1.545 nan 8.380 nan 0.000 0.543 49 G N -1.022 107.792 108.800 0.023 0.000 2.179 49 G HA2 -0.334 3.627 3.960 0.001 0.000 0.260 49 G HA3 -0.334 3.627 3.960 0.001 0.000 0.260 49 G C -0.003 174.916 174.900 0.032 0.000 0.977 49 G CA 1.048 46.163 45.100 0.024 0.000 0.641 49 G HN 0.527 nan 8.290 nan 0.000 0.533 50 K N -0.234 120.190 120.400 0.041 0.000 2.385 50 K HA 0.668 4.989 4.320 0.001 0.000 0.248 50 K C -0.690 175.952 176.600 0.071 0.000 0.955 50 K CA -0.751 55.568 56.287 0.053 0.000 0.816 50 K CB 2.383 34.915 32.500 0.054 0.000 1.250 50 K HN 0.183 nan 8.250 nan 0.000 0.434 51 E N -0.214 120.037 120.200 0.084 0.000 2.317 51 E HA 0.669 5.019 4.350 0.001 0.000 0.270 51 E C -0.954 175.732 176.600 0.144 0.000 0.885 51 E CA -0.697 55.769 56.400 0.110 0.000 0.760 51 E CB 2.140 31.895 29.700 0.091 0.000 1.227 51 E HN 0.776 nan 8.360 nan 0.000 0.434 52 G N 1.456 110.377 108.800 0.202 0.000 2.317 52 G HA2 0.238 4.198 3.960 0.001 0.000 0.293 52 G HA3 0.238 4.198 3.960 0.001 0.000 0.293 52 G C -1.234 173.881 174.900 0.360 0.000 1.287 52 G CA -0.626 44.619 45.100 0.242 0.000 0.850 52 G HN 0.634 nan 8.290 nan 0.000 0.515 53 I N -1.121 119.675 120.570 0.376 0.000 2.612 53 I HA 0.911 5.082 4.170 0.001 0.000 0.295 53 I C -0.312 176.167 176.117 0.604 0.000 1.011 53 I CA -0.898 60.675 61.300 0.455 0.000 1.326 53 I CB 1.328 39.560 38.000 0.386 0.000 1.427 53 I HN 0.729 nan 8.210 nan 0.000 0.537 54 F N 2.658 122.734 119.950 0.210 0.000 2.668 54 F HA 0.739 5.260 4.527 -0.010 0.000 0.309 54 F C -3.069 172.093 175.800 -1.063 0.000 1.117 54 F CA -2.594 55.206 58.000 -0.334 0.000 0.951 54 F CB 1.170 40.170 39.000 0.000 0.000 1.323 54 F HN 0.225 nan 8.300 nan 0.000 0.451 55 P HA 0.181 nan 4.420 nan 0.000 0.276 55 P C 0.136 176.847 177.300 -0.982 0.000 1.264 55 P CA 0.095 62.003 63.100 -1.987 0.000 0.769 55 P CB 1.276 31.833 31.700 -1.904 0.000 0.840 56 A N 4.787 126.931 122.820 -1.126 0.000 2.125 56 A HA -0.197 4.124 4.320 0.001 0.000 0.219 56 A C 1.621 178.882 177.584 -0.539 0.000 1.156 56 A CA 1.421 52.817 52.037 -1.067 0.000 0.671 56 A CB -1.111 16.573 19.000 -2.193 0.000 0.794 56 A HN 0.597 nan 8.150 nan 0.000 0.459 57 N N -1.821 116.653 118.700 -0.377 0.000 2.521 57 N HA -0.083 4.658 4.740 0.001 0.000 0.188 57 N C 0.627 176.157 175.510 0.033 0.000 1.146 57 N CA 0.717 53.678 53.050 -0.148 0.000 0.893 57 N CB -0.647 37.764 38.487 -0.126 0.000 0.975 57 N HN 0.452 nan 8.380 nan 0.000 0.451 58 Y N 0.274 120.482 120.300 -0.153 0.000 2.466 58 Y HA 0.247 4.798 4.550 0.001 0.000 0.272 58 Y C 1.029 177.023 175.900 0.156 0.000 1.169 58 Y CA -0.581 57.572 58.100 0.088 0.000 1.285 58 Y CB 0.147 38.696 38.460 0.147 0.000 1.078 58 Y HN 0.097 nan 8.280 nan 0.000 0.523 59 V N -2.011 117.991 119.914 0.148 0.000 3.126 59 V HA 0.612 4.733 4.120 0.001 0.000 0.314 59 V C -0.552 175.556 176.094 0.024 0.000 1.138 59 V CA -1.500 60.825 62.300 0.041 0.000 1.034 59 V CB 2.404 34.216 31.823 -0.018 0.000 1.075 59 V HN -0.013 nan 8.190 nan 0.000 0.442 60 R N 1.514 122.018 120.500 0.007 0.000 2.338 60 R HA 0.675 5.016 4.340 0.001 0.000 0.317 60 R C -1.339 174.989 176.300 0.047 0.000 0.968 60 R CA -0.523 55.588 56.100 0.019 0.000 0.849 60 R CB 1.808 32.106 30.300 -0.003 0.000 1.128 60 R HN 0.765 nan 8.270 nan 0.000 0.448 61 V N 3.997 123.966 119.914 0.090 0.000 2.521 61 V HA 0.117 4.238 4.120 0.001 0.000 0.286 61 V C 0.149 176.283 176.094 0.066 0.000 1.034 61 V CA 0.468 62.843 62.300 0.126 0.000 1.045 61 V CB 1.254 33.187 31.823 0.183 0.000 0.974 61 V HN 0.848 nan 8.190 nan 0.000 0.480 62 S N 0.000 115.730 115.700 0.050 0.000 2.498 62 S HA 0.000 4.470 4.470 0.001 0.000 0.327 62 S CA 0.000 58.214 58.200 0.023 0.000 1.107 62 S CB 0.000 63.203 63.200 0.005 0.000 0.593 62 S HN 0.000 nan 8.310 nan 0.000 0.517